ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C26H27BrN4O4 MolecularWeight: 539.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCN(CC4)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCN(CC4)CC#N

InChI

InChI=1S/C26H27BrN4O4/c1-3-34-26(33)25-20-15-24(35-18(2)32)21(27)16-22(20)31(19-7-5-4-6-8-19)23(25)17-30-13-11-29(10-9-28)12-14-30/h4-8,15-16H,3,10-14,17H2,1-2H3